2-tert-butyl-1,4-dihydroquinazolin-4-ol

C12H16N2O — CID 58798390

IUPAC2-tert-butyl-1,4-dihydroquinazolin-4-ol
SMILESCC(C)(C)C1=NC(O)c2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-12(2,3)11-13-9-7-5-4-6-8(9)10(15)14-11/h4-7,10,15H,1-3H3,(H,13,14)
InChIKeyIZHXWYKZTCRXTA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.55
Rot. Bonds

About 2-tert-butyl-1,4-dihydroquinazolin-4-ol

2-tert-butyl-1,4-dihydroquinazolin-4-ol (PubChem CID 58798390) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dihydroquinazolin-4-ol.

Molecular Properties

Compound Name2-tert-butyl-1,4-dihydroquinazolin-4-ol
PubChem CID58798390
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-tert-butyl-1,4-dihydroquinazolin-4-ol
SMILESCC(C)(C)C1=NC(O)c2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-12(2,3)11-13-9-7-5-4-6-8(9)10(15)14-11/h4-7,10,15H,1-3H3,(H,13,14)
InChIKeyIZHXWYKZTCRXTA-UHFFFAOYSA-N
XLogP2.55
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-9-ol
CID 3756584
Quinazoline, 5-fluoro-3,4-dihydro-4-hydroxy-
CID 145946017
3,4-Dihydroquinazolin-4-ol
CID 16640701
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
CID 44537691
1-Fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
CID 44537694
Quinazoline, 7-fluoro-3,4-dihydro-4-hydroxy-
CID 163647227
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
CID 10977238
N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide
CID 164623471
Quinazoline, 3,4-dihydro-4-hydroxy-7-trifluoromethyl-
CID 171384209
Quinazoline, 3,4-dihydro-4-hydroxy-6-trifluoromethyl-
CID 171384215
Quinazoline, 6-fluoro-3,4-dihydro-4-hydroxy-
CID 171384462
Quinazoline, 6-fluoro-3,4-dihydro-4-hydroxy-2-methyl-
CID 171384712

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dihydroquinazolin-4-ol?
The IUPAC name of 2-tert-butyl-1,4-dihydroquinazolin-4-ol (CID 58798390) is 2-tert-butyl-1,4-dihydroquinazolin-4-ol.
What is the SMILES notation for 2-tert-butyl-1,4-dihydroquinazolin-4-ol?
The canonical SMILES for 2-tert-butyl-1,4-dihydroquinazolin-4-ol is CC(C)(C)C1=NC(O)c2ccccc2N1.
What is the InChIKey of 2-tert-butyl-1,4-dihydroquinazolin-4-ol?
The InChIKey is IZHXWYKZTCRXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)11-13-9-7-5-4-6-8(9)10(15)14-11/h4-7,10,15H,1-3H3,(H,13,14).
What are the key properties of 2-tert-butyl-1,4-dihydroquinazolin-4-ol?
2-tert-butyl-1,4-dihydroquinazolin-4-ol has a molecular weight of 204.27 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-dihydroquinazolin-4-ol is sourced from PubChem (CID 58798390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).